6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

C12H18F3N3O2 — CID 60959739

IUPAC6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C12H18F3N3O2/c1-3-8(4-2)18(7-12(13,14)15)11(20)9-5-6-10(19)17-16-9/h8H,3-7H2,1-2H3,(H,17,19)
InChIKeyLBBNZIRGUDETRC-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.83
Rot. Bonds5

About 6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 60959739) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID60959739
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC Name6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C12H18F3N3O2/c1-3-8(4-2)18(7-12(13,14)15)11(20)9-5-6-10(19)17-16-9/h8H,3-7H2,1-2H3,(H,17,19)
InChIKeyLBBNZIRGUDETRC-UHFFFAOYSA-N
XLogP1.83
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 60959739) is 6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is CCC(CC)N(CC(F)(F)F)C(=O)C1=NNC(=O)CC1.
What is the InChIKey of 6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is LBBNZIRGUDETRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-3-8(4-2)18(7-12(13,14)15)11(20)9-5-6-10(19)17-16-9/h8H,3-7H2,1-2H3,(H,17,19).
What are the key properties of 6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 293.29 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 60959739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).